input word = C00031649

Metabolite InformationStructural formula
Name Caragaphenol A
Formula C42H30O9
Mw 678.18898256
CAS RN 837415-54-0
C_ID C00031649 ,
InChIKey AEOGCGVNRXJICU-KYXDCYGVNA-N
InChICode InChI=1S/C42H30O9/c43-23-7-1-20(2-8-23)13-29-30-14-27(47)18-34-37(30)40(42(50-34)22-5-11-25(45)12-6-22)32-16-28(48)19-35-38(32)39(31-15-26(46)17-33(49)36(29)31)41(51-35)21-3-9-24(44)10-4-21/h1-19,39-49H/b29-13-/t39-,40+,41+,42-/m1/s1
SMILES c12/C(=C/c3ccc(cc3)O)/c3c([C@@H]4c5c([C@H]6c1c(cc(c2)O)O[C@@H]6c1ccc(cc1)O)cc(cc5O[C@H]4c1ccc(cc1)O)O)cc(cc3O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaragana stenophylla Ref.
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OrganismCaragana stenophylla
ReferenceLiu,Chem.Pharm.Bull.,52,(2004),1339